Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.39 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.39 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25020880 | 1.00 | HTT (0.42) | HTTGAAGABRA1GABRG2GABRB3 | |
| SCHEMBL18658819 | 0.86 | GABRA1 (0.41) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL25020863 | 0.80 | LRRK2 (0.43) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL25020951 | 0.80 | LRRK2 (0.46) | HTTGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL23935184 | 0.80 | EGFR (0.41) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL25022265 | 0.80 | LRRK2 (0.49) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL18658759 | 0.78 | ALDH1A1 (0.38) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL18658760 | 0.78 | F2 (0.46) | HTTGAAGABRA1GABRG2GABRB3 | |
| SCHEMBL18658935 | 0.78 | LRRK2 (0.49) | LRRK2 | |
| SCHEMBL23935062 | 0.78 | LRRK2 (0.36) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111051304-B | Imidazo [4,5-c ] quinoline derivatives as LRRK2 inhibitors | 辉瑞大药厂 | 2022-12-27 | — | — | CN | disclosed |